Paper Title:
Site Preference Occupation of Ni and V in Fe3Al-Based Alloys
  Abstract

Nonempirical study of the site preference occupation for Ni and V substituting in Fe3Al has been carried out in the framework of the coherent potential approximation. Obtained values of total energies show in a full agreement with experiments that Ni atoms in the equilibrium configuration occupy the iron sub-lattice for alloying with 5 at % of Ni in the Fe3Al-based alloy. Calculations of alloys with the V-doped iron aluminide in the D03 phase show differences in bonding and site occupation preferences in comparison with Ni doping. V atoms occupy aluminum sublattice.

  Info
Periodical
Materials Science Forum (Volumes 480-481)
Edited by
A. Méndez-Vilas
Pages
81-88
DOI
10.4028/www.scientific.net/MSF.480-481.81
Citation
D. Fuks, S. Dorfman, V. Liubich, L. Kutsenko, H. Mehrer, "Site Preference Occupation of Ni and V in Fe3Al-Based Alloys", Materials Science Forum, Vols. 480-481, pp. 81-88, 2005
Online since
March 2005
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Price
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